5-Bromo-1-cyclopentyl-6-fluoro-1,2,3-benzotriazole - CAS 1381944-45-1
Catalog: |
BB071849 |
Product Name: |
5-Bromo-1-cyclopentyl-6-fluoro-1,2,3-benzotriazole |
CAS: |
1381944-45-1 |
Synonyms: |
5-Bromo-1-cyclopentyl-6-fluoro-1,2,3-benzotriazole; 5-bromo-1-cyclopentyl-6-fluorobenzotriazole |
IUPAC Name: | 5-bromo-1-cyclopentyl-6-fluorobenzotriazole |
Description: | 5-Bromo-1-cyclopentyl-6-fluoro-1,2,3-benzotriazole |
Molecular Weight: | 284.13 |
Molecular Formula: | C11H11BrFN3 |
Canonical SMILES: | C1CCC(C1)N2C3=CC(=C(C=C3N=N2)Br)F |
InChI: | InChI=1S/C11H11BrFN3/c12-8-5-10-11(6-9(8)13)16(15-14-10)7-3-1-2-4-7/h5-7H,1-4H2 |
InChI Key: | HCZVZONBBCIZSB-UHFFFAOYSA-N |
Complexity: | 260 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 283.01204 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 283.01204 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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